N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide

C17H27NO — CID 54266266

IUPACN-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide
SMILESCCCC1C=CC(CC)=C1C(NC(=O)CC)=C(C)C
InChIInChI=1S/C17H27NO/c1-6-9-14-11-10-13(7-2)16(14)17(12(4)5)18-15(19)8-3/h10-11,14H,6-9H2,1-5H3,(H,18,19)
InChIKeyRGZAWDQUIQHFFS-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.50
Rot. Bonds6

About N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide

N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide (PubChem CID 54266266) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide
PubChem CID54266266
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide
SMILESCCCC1C=CC(CC)=C1C(NC(=O)CC)=C(C)C
InChIInChI=1S/C17H27NO/c1-6-9-14-11-10-13(7-2)16(14)17(12(4)5)18-15(19)8-3/h10-11,14H,6-9H2,1-5H3,(H,18,19)
InChIKeyRGZAWDQUIQHFFS-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 142335235
(Z)-N-[4-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-methylidenehex-3-enamide
CID 163711623
6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one
CID 176964441
6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one
CID 176964774
N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide
CID 135012318
3-methyl-6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one
CID 17864869
N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide
CID 57048614
2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide
CID 57064785
2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide
CID 57176642
N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide
CID 57220120
N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide
CID 59981577
(5S,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one
CID 72198490

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide?
The IUPAC name of N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide (CID 54266266) is N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide.
What is the SMILES notation for N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide?
The canonical SMILES for N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide is CCCC1C=CC(CC)=C1C(NC(=O)CC)=C(C)C.
What is the InChIKey of N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide?
The InChIKey is RGZAWDQUIQHFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-9-14-11-10-13(7-2)16(14)17(12(4)5)18-15(19)8-3/h10-11,14H,6-9H2,1-5H3,(H,18,19).
What are the key properties of N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide?
N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide has a molecular weight of 261.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide is sourced from PubChem (CID 54266266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).